Glycoside
GD156067
Name:
1-O-Methyl-6-O-(Α-D-Ribofuranosyl)EmodinFormula:
C21H20O9Smiles:
COc1cc(C)cc2c1C(=O)c1c(O)cc(OC3OC(CO)C(O)C3O)cc1C2=OAglycone:
COc1cc(C)cc2c1C(=O)c1c(O)cc(O)cc1C2=OSugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.33 |
| AlogP: | 0.3 | Num_rotatable_bonds: | 4 |
| MolWt: | 416.38 | Num_heavy_atoms: | 30 |
| TPSA: | 142.75 | NumAromaticRings: | 2 |
Unique Aglycone
AD61833
Formula: C16H12O5
Smiles:
COc1cc(C)cc2c1C(=O)c1c(O)cc(O)cc1C2=O| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.12 |
| AlogP: | 2.19 | Num_rotatable_bonds: | 1 |
| MolWt: | 284.27 | Num_heavy_atoms: | 21 |
| TPSA: | 83.83 | NumAromaticRings: | 2 |
